Accessing LAMMPS 29Oct2020-foss-2020b-kokkos
To load the module for LAMMPS 29Oct2020-foss-2020b-kokkos please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load LAMMPS/29Oct2020-foss-2020b-kokkos
BEAR Apps Version
The listed architectures consist of two part: OS-CPU.
- BlueBEAR: The OS used on BlueBEAR is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.
- BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.
This version of LAMMPS was built with the following:
- General packages: ASPHERE, BODY, CLASS2, COLLOID, COMPRESS, CORESHELL, DIPOLE, GRANULAR, KIM, KOKKOS, KSPACE, MANYBODY, MC, MESSAGE, MISC, MOLECULE, MPIIO, PERI, POEMS, PYTHON, QEQ, REPLICA, RIGID, SHOCK, SNAP, SPIN, SRD, and VORONOI
- User packages: ATC, BOCS, CGDNA, CGSDK, COLVARS, DIFFRACTION, DPD, DRUDE, EFF, FEP, H5MD, LB, MANIFOLD, MEAMC, MESODPD, MESONT, MGPT, MISC, MOFFF, MOLFILE, NETCDF, PHONON, PLUMED, PTM, QTB, REAXC, SDPD, SMD, SMTBQ, SPH, TALLY, UEF, and VTK
- The version built for Intel CPUs includes these additional user packages: INTEL, SCAFACOS, and YAFF
For more information visit the LAMMPS website.
This version of LAMMPS has a direct dependency on: cURL/7.72.0-GCCcore-10.2.0 Eigen/3.3.9-GCCcore-10.2.0 FFmpeg/4.3.1-GCCcore-10.2.0 foss/2020b GSL/2.6-GCC-10.2.0 gzip/1.10-GCCcore-10.2.0 HDF5/1.10.7-gompi-2020b kim-api/2.2.1-GCCcore-10.2.0 libjpeg-turbo/2.0.5-GCCcore-10.2.0 libpng/1.6.37-GCCcore-10.2.0 libxml2/2.9.10-GCCcore-10.2.0 netCDF/4.7.4-gompi-2020b PCRE/8.44-GCCcore-10.2.0 PLUMED/2.6.2-foss-2020b Python/3.8.6-GCCcore-10.2.0 ScaFaCoS/1.0.1-foss-2020b tbb/2020.3-GCCcore-10.2.0 Voro++/0.4.6-GCCcore-10.2.0 VTK/9.0.1-foss-2020b yaff/1.6.0-foss-2020b zlib/1.2.11-GCCcore-10.2.0
Last modified on 15th June 2021